1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
TL;DR: 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) (CAS 39642-86-9) is a chemical compound with molecular formula C20H28N6O2 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridin-3-ylmethyl)-3-[6-(pyridin-3-ylmethylcarbamoylamino)hexyl]urea
Also Known As: 1,1'-hexamethylenebis(3-(3-pyridylmethyl)urea), 1,1'-hexane-1,6-diylbis[3-(pyridin-3-ylmethyl)urea], 1-(pyridin-3-ylmethyl)-3-[6-(pyridin-3-ylmethylcarbamoylamino)hexyl]urea, 3-(pyridin-3-ylmethyl)-1-[6-(pyridin-3-ylmethylcarbamoylamino)hexyl]urea, [(3-pyridylmethyl)amino]-N-(6-{[(3-pyridylmethyl)amino]carbonylamino}hexyl)car boxamide
| Molecular Formula | C20H28N6O2 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 2.3356 |
| Topological Polar Surface Area | 108.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 384.2274 |
| Heavy Atoms | 28 |
| Complexity | 634.8568 |
Chemical Identifiers
| CAS Number | 39642-86-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)NCCCCCCNC(=O)NCC2=CN=CC=C2 |
Product Overview
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) (CAS 39642-86-9), with molecular formula C20H28N6O2 and molecular weight 384.23 g/mol. IUPAC: 1-(pyridin-3-ylmethyl)-3-[6-(pyridin-3-ylmethylcarbamoylamino)hexyl]urea.
Chemical Property Profile of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
Property Insights of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
The XLogP value of 2.3356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea). The TPSA of 108.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea). Following Lipinski's Rule of Five, 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)?
The CAS number of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) is 39642-86-9.
What is the molecular formula of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)?
The molecular formula of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) is C20H28N6O2.
What is the molecular weight of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)?
The molecular weight of 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) is 384.23 g/mol.
Where can I buy 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)?
You can request a quote for 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.